methyl 2-(4-cyanophenyl)-6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyridine-3-carboxylate

Systemtic Name: methyl 2-(4-cyanophenyl)-6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyridine-3-carboxylate Openeye Name: methyl 2-(4-cyanophenyl)-6-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyridine-3-carboxylate CAS Name: 2-(4-cyanophenyl)-6-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyridine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-6-[2-[(5-nitro-2-pyridyl)amino]ethylamino]nicotinic acid methyl ester Formula: C21H18N6O4 MolecularWeight: 418.40542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(C=C1)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=C(N=C(C=C1)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N6O4/c1-31-21(28)17-7-9-19(26-20(17)15-4-2-14(12-22)3-5-15)24-11-10-23-18-8-6-16(13-25-18)27(29)30/h2-9,13H,10-11H2,1H3,(H,23,25)(H,24,26)